• Formula : RbLiF2
  • Space Group : C2/c (15)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 5.83
    b = 11.16
    c = 7.86
    α = 90.0
    β = 94.91
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 104
  • Band gap = 6.05 eV
    Direct Gap = 6.068 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Crystal structures of rubidium lithium fluoride, Rb Li F2, and cesium lithium fluoride, Cs Li F2,
    Inorganic Chemistry 4, 1510 (1965)

Band structure with spin-orbit coupling